8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline

C25H29FN2O — CID 25167860

IUPAC8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline
SMILESCc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C25H29FN2O/c1-18-15-20-5-4-12-27-24(20)23(16-18)19(2)29-17-25(10-13-28(3)14-11-25)21-6-8-22(26)9-7-21/h4-9,12,15-16,19H,10-11,13-14,17H2,1-3H3
InChIKeyALWNJYKCJBBDTK-UHFFFAOYSA-N
MW392.52 g/mol
LogP5.42
Rot. Bonds5

About 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline

8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline (PubChem CID 25167860) has the molecular formula C25H29FN2O and a molecular weight of 392.52 g/mol. Its IUPAC name is 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline.

Molecular Properties

Compound Name8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline
PubChem CID25167860
Molecular FormulaC25H29FN2O
Molecular Weight392.52 g/mol
Exact Mass392.23
IUPAC Name8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline
SMILESCc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C)CC2)c2ncccc2c1
InChIInChI=1S/C25H29FN2O/c1-18-15-20-5-4-12-27-24(20)23(16-18)19(2)29-17-25(10-13-28(3)14-11-25)21-6-8-22(26)9-7-21/h4-9,12,15-16,19H,10-11,13-14,17H2,1-3H3
InChIKeyALWNJYKCJBBDTK-UHFFFAOYSA-N
XLogP5.42
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.52
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline?
The IUPAC name of 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline (CID 25167860) is 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline.
What is the SMILES notation for 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline?
The canonical SMILES for 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline is Cc1cc(C(C)OCC2(c3ccc(F)cc3)CCN(C)CC2)c2ncccc2c1.
What is the InChIKey of 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline?
The InChIKey is ALWNJYKCJBBDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN2O/c1-18-15-20-5-4-12-27-24(20)23(16-18)19(2)29-17-25(10-13-28(3)14-11-25)21-6-8-22(26)9-7-21/h4-9,12,15-16,19H,10-11,13-14,17H2,1-3H3.
What are the key properties of 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline?
8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline has a molecular weight of 392.52 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[[4-(4-fluorophenyl)-1-methylpiperidin-4-yl]methoxy]ethyl]-6-methylquinoline is sourced from PubChem (CID 25167860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).